CID 173187926

C18H25Cl2NOSiZr — CID 173187926

IUPAC—
SMILESC[Si]C.[Cl-].[Cl-].[NH-]C(=O)C1CCCCC1.[Zr+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C7H13NO.C2H6Si.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;8-7(9)6-4-2-1-3-5-6;1-3-2;;;/h1-7H;6H,1-5H2,(H2,8,9);1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyGDRMWUHURVAOTF-UHFFFAOYSA-K
MW461.62 g/mol
LogP-0.50
Rot. Bonds1

About CID 173187926

CID 173187926 (PubChem CID 173187926) has the molecular formula C18H25Cl2NOSiZr and a molecular weight of 461.62 g/mol.

Molecular Properties

Compound NameCID 173187926
PubChem CID173187926
Molecular FormulaC18H25Cl2NOSiZr
Molecular Weight461.62 g/mol
Exact Mass459.01
IUPAC Name—
SMILESC[Si]C.[Cl-].[Cl-].[NH-]C(=O)C1CCCCC1.[Zr+4].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C7H13NO.C2H6Si.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;8-7(9)6-4-2-1-3-5-6;1-3-2;;;/h1-7H;6H,1-5H2,(H2,8,9);1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyGDRMWUHURVAOTF-UHFFFAOYSA-K
XLogP-0.50
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.62
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 173187926 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 173187682
CID 173187682
tris(cyclohexanecarboxylic acid);1H-inden-1-ide;titanium
CID 18780984
CID 173020182
CID 173020182
CID 173188189
CID 173188189
CID 173188093
CID 173188093
CID 173188362
CID 173188362
CID 173046303
CID 173046303
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360
CID 173222132
CID 173222132
CID 22311255
CID 22311255
dimethylphosphane;1H-inden-1-ide;zirconium(4+);trichloride
CID 157067966
ethene;bis(1H-inden-1-ide);methanolate;zirconium(4+);chloride
CID 173230706

Frequently Asked Questions

What is the IUPAC name of CID 173187926?
The IUPAC name of CID 173187926 (CID 173187926) is not available.
What is the SMILES notation for CID 173187926?
The canonical SMILES for CID 173187926 is C[Si]C.[Cl-].[Cl-].[NH-]C(=O)C1CCCCC1.[Zr+4].c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 173187926?
The InChIKey is GDRMWUHURVAOTF-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H7.C7H13NO.C2H6Si.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;8-7(9)6-4-2-1-3-5-6;1-3-2;;;/h1-7H;6H,1-5H2,(H2,8,9);1-2H3;2*1H;/q-1;;;;;+4/p-3.
What are the key properties of CID 173187926?
CID 173187926 has a molecular weight of 461.62 g/mol, XLogP of -0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173187926 is sourced from PubChem (CID 173187926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).